3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one

C25H17Cl2NO6 — CID 108654057

IUPAC3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
SMILESCOc1cc(Cl)cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(Cl)c4C)C3c3ccco3)oc12
InChIInChI=1S/C25H17Cl2NO6/c1-12-15(27)5-3-6-16(12)28-21(17-7-4-8-33-17)20(23(30)25(28)31)22(29)18-10-13-9-14(26)11-19(32-2)24(13)34-18/h3-11,21,30H,1-2H3
InChIKeyKAKQJLPKYIYGCT-UHFFFAOYSA-N
MW498.32 g/mol
LogP6.43
Rot. Bonds5

About 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one

3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one (PubChem CID 108654057) has the molecular formula C25H17Cl2NO6 and a molecular weight of 498.32 g/mol. Its IUPAC name is 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
PubChem CID108654057
Molecular FormulaC25H17Cl2NO6
Molecular Weight498.32 g/mol
Exact Mass497.04
IUPAC Name3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
SMILESCOc1cc(Cl)cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(Cl)c4C)C3c3ccco3)oc12
InChIInChI=1S/C25H17Cl2NO6/c1-12-15(27)5-3-6-16(12)28-21(17-7-4-8-33-17)20(23(30)25(28)31)22(29)18-10-13-9-14(26)11-19(32-2)24(13)34-18/h3-11,21,30H,1-2H3
InChIKeyKAKQJLPKYIYGCT-UHFFFAOYSA-N
XLogP6.43
TPSA93.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.32
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-methoxyphenyl)-2H-pyrrol-5-one
CID 108652672
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one
CID 108639249
1-(3-chloro-4-methylphenyl)-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one
CID 108655186
1-(3-chloro-2-methylphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108589572
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-hydroxyphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108625787
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(3-methylphenyl)-2H-pyrrol-5-one
CID 108658289
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-phenyl-2H-pyrrol-5-one
CID 108639336
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-hydroxyphenyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108629346
1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one
CID 108654063
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(5-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108701166
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-naphthalen-1-yl-2H-pyrrol-5-one
CID 108597457
2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 108607628

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one (CID 108654057) is 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one is COc1cc(Cl)cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(Cl)c4C)C3c3ccco3)oc12.
What is the InChIKey of 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is KAKQJLPKYIYGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17Cl2NO6/c1-12-15(27)5-3-6-16(12)28-21(17-7-4-8-33-17)20(23(30)25(28)31)22(29)18-10-13-9-14(26)11-19(32-2)24(13)34-18/h3-11,21,30H,1-2H3.
What are the key properties of 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one?
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 498.32 g/mol, XLogP of 6.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 108654057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).